Geometry & MOs

Info

ID:	269539
PubChem CID:	103617914
Reduced:	NOC3H5 (2)
Stoich.:	ABC3D5 (2)
Weight, g/mol:	190.102751
ΔH_f, kcal/mol:	-32.3
Dipole, Da:	2.71
IP(EA), eV:	-9.78(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-pentylsulfanylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C#N)C(=O)NOC

DOS

IR

Vibrations